![CAS 25700-10-1 1-[4-(1H-BENZIMIDAZOL-1-YL)PHENYL]ETHANONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/25700-10-1.gif)
CAS RN: 25700-10-1
1-[4-(1H-BENZIMIDAZOL-1-YL)PHENYL]ETHANONE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250919 | 10g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS25700-10-1
- Purity/Analytical Methods: >99.0%
25700-10-1 / 1-[4-(benzimidazol-1-yl)phenyl]ethanone
Basic Information
CAS
25700-10-1
Multi CAS
No
Molecular Formula
C15H12N2O
Molecular Weight
236.270000
Exact Mass
236.094963
SMILES
CC(=O)C1=CC=C(C=C1)N2C=NC3=CC=CC=C32
InChI
InChI=1S/C15H12N2O/c1-11(18)12-6-8-13(9-7-12)17-10-16-14-4-2-3-5-15(14)17/h2-10H,1H3
InChIKey
QUJQOWRVTLABIP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
71.07
TPSA
34.89
LogP / Solubility
WLOGP
3.23
MLOGP
2.85
XLogP3
2.8
Consensus LogP
2.96
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
3-(1H-imidazol-1-yl)pyridine
- CAS RN: 25700-15-6
- Product Code: starshine_CAS25700-15-6
- Purity/Analytical method: >99.0%
-
-
